Geometry & MOs

Info

ID:	39784
PubChem CID:	8142272
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-11.29
Dipole, Da:	5.86
IP(EA), eV:	-9.12(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-methoxyphenyl)-phenylmethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations